NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5476 0.0000 0.0000 62.5986 33.5895 174.7676 2 M 5.2578 8.6678 121.2332 53.3097 35.1756 173.4766 3 I 4.8733 9.0514 124.6016 59.4688 41.2780 174.4340 4 S 5.2952 8.8622 119.8069 56.7146 66.4850 173.0847 5 C 4.7458 8.9524 121.3067 58.0171 34.4077 172.2751 6 D 5.4660 8.8337 127.0644 53.6351 41.7523 175.8365 7 M 4.3565 8.8763 119.6707 53.8008 35.1144 174.3195 8 R 4.4765 7.6094 118.2710 56.0169 30.8877 176.5262 9 Y 4.2455 8.4049 120.1504 59.5555 38.3468 176.1851 10 G 3.9870 9.3711 109.2460 45.8061 0.0000 174.5056 11 R 4.4410 7.7264 119.7630 56.0092 30.8716 177.1214 12 T 4.2642 8.7808 112.5988 61.2699 70.9453 175.6208 13 D 4.3616 8.6036 121.4924 57.7177 40.8193 178.8613 14 E 3.9640 8.2261 118.3824 59.7200 29.4278 179.4181 15 Q 4.0020 8.1204 117.8612 58.9117 28.7604 178.9669 16 K 4.0164 8.2808 119.6316 59.5474 32.0930 179.6949 17 R 3.9576 8.3862 118.4362 59.1067 29.9769 178.9889 18 A 3.9982 8.2500 120.8198 54.8050 18.2749 179.4290 19 L 3.8423 8.1723 119.3074 58.2893 42.1513 179.3834 20 S 3.6067 8.2492 113.9831 61.3095 62.9220 176.1623 21 A 4.0089 8.0996 124.7561 54.6818 18.1228 179.9409 22 G 3.4295 8.0696 104.0994 47.8950 0.0000 176.0336 23 L 3.8684 7.8563 121.9372 57.2753 41.4728 179.5455 24 L 3.8664 7.8974 119.1591 57.7049 41.5399 179.5455 25 R 3.8201 7.8554 118.5143 59.5021 30.1516 178.7749 26 V 3.5601 7.7541 117.9432 65.9787 31.5278 178.0922 27 I 3.6808 7.8759 119.6865 64.3155 36.8793 178.2672 28 S 4.3062 8.2221 115.6489 61.0036 61.9969 176.1394 29 E 3.9236 8.1250 119.7655 59.3174 29.2350 178.8793 30 A 4.1797 7.8642 120.0644 54.2623 18.6738 178.7476 31 T 4.4121 7.9698 105.9533 60.7807 70.0736 175.8698 32 G 3.8952 8.1167 109.2146 45.7727 0.0000 173.1735 33 E 4.2867 7.8383 119.9906 54.5719 30.4208 174.9151 34 P 4.4507 0.0000 0.0000 62.0914 32.5119 176.9876 35 R 3.8183 8.7888 119.8396 59.7834 29.9012 178.2110 36 E 3.9466 8.2271 116.5635 58.4769 29.7522 176.4485 37 N 4.9121 8.2179 115.8704 53.0051 39.0041 173.5987 38 I 4.8870 7.4743 117.0602 59.0378 39.8572 174.7506 39 F 5.0580 9.2632 128.5271 56.3762 42.4140 173.6495 40 F 5.4350 7.5506 126.3136 56.3281 42.5119 173.8845 41 V 3.9203 8.0421 124.3802 59.7246 34.5186 174.2142 42 I 4.4326 7.7518 124.8398 59.8219 38.8251 175.0487 43 R 4.5214 9.0196 126.2898 54.4992 32.3365 174.8432 44 E 5.3775 8.0460 123.3078 54.2528 31.9497 175.2451 45 G 4.1607 7.8263 108.0364 45.0607 0.0000 172.3709 46 S 4.9449 8.9753 115.7023 58.0022 63.8484 175.9149 47 G 3.9002 8.9562 111.9072 49.0305 0.0000 175.9164 48 I 3.8285 7.9191 118.4857 63.4483 38.0070 175.9775 49 N 4.5879 8.2266 115.6246 53.8122 38.9078 174.6889 50 F 4.6378 8.5344 118.5688 55.3295 41.5019 174.3732 51 V 4.7404 8.4083 124.2903 61.0413 33.4527 174.2063 52 Q 4.4901 8.4695 128.0812 55.6914 31.6073 174.6228 53 H 4.1797 9.7492 119.5313 56.9153 26.4109 176.0164 54 G 4.0107 8.5841 105.4719 45.4814 0.0000 173.9340 55 E 4.7980 7.9573 119.3023 54.3477 32.4889 175.0645 56 H 4.9569 8.7888 119.9352 55.8954 29.5012 175.2775 57 L 4.5488 8.5876 122.6388 53.7356 42.6144 175.0891 58 P 4.7011 0.0000 0.0000 62.0026 32.7675 175.6035 59 D 4.5856 8.5289 119.6779 54.2419 41.3252 176.0226 60 Y 4.2275 8.4952 123.3833 57.3973 39.5075 174.9951 61 V 4.1601 7.2696 126.0758 60.0856 34.7169 171.0913 62 P 3.9215 0.0000 0.0000 62.6470 30.1610 177.1394 63 G 4.6814 9.7420 116.2222 45.7186 0.0000 172.1192 64 N 4.4798 9.3480 125.0573 54.0183 40.5048 173.5325 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 P 0.00 4.55 0.00 2.12 2.06 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.67 5.26 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.77 0.00 3 I 9.05 4.87 2.08 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.94 0.00 0.00 4 S 8.86 5.30 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.95 4.75 0.00 3.25 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.83 5.47 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.88 4.36 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 8 R 7.61 4.48 0.00 1.47 1.88 0.00 3.32 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.00 9 Y 8.40 4.25 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.37 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.73 4.44 0.00 1.70 1.82 0.00 2.50 0.00 0.00 2.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 12 T 8.78 4.26 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 13 D 8.60 4.36 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.23 3.96 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 15 Q 8.12 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 16 K 8.28 4.02 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.66 7.81 17 R 8.39 3.96 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 18 A 8.25 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 3.84 0.00 1.86 1.92 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.25 3.61 0.00 4.21 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.10 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.07 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.86 3.87 0.00 1.14 1.37 0.42 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.90 3.87 0.00 1.90 1.66 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.86 3.82 0.00 1.92 2.04 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 26 V 7.75 3.56 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 27 I 7.88 3.68 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 0.90 0.00 0.00 28 S 8.22 4.31 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.12 3.92 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 30 A 7.86 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.97 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 G 8.12 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.84 4.29 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 34 P 0.00 4.45 0.00 2.22 2.18 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 35 R 8.79 3.82 0.00 1.86 2.01 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 36 E 8.23 3.95 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 37 N 8.22 4.91 0.00 2.69 2.78 0.00 0.00 6.98 8.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.47 4.89 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 0.92 0.00 0.00 39 F 9.26 5.06 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.55 5.44 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.04 3.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 42 I 7.75 4.43 1.63 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.24 0.79 0.00 0.00 43 R 9.02 4.52 0.00 1.77 1.76 0.00 3.36 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 44 E 8.05 5.38 0.00 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 45 G 7.83 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.98 4.94 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.92 3.83 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.98 0.00 0.00 49 N 8.23 4.59 0.00 2.87 2.51 0.00 0.00 6.77 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.53 4.64 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.41 4.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.58 0.00 0.00 52 Q 8.47 4.49 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 53 H 9.75 4.18 0.00 3.33 3.34 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.58 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.96 4.80 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 56 H 8.79 4.96 0.00 3.06 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.59 4.55 0.00 1.80 1.64 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.70 0.00 2.10 2.10 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 D 8.53 4.59 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.50 4.23 0.00 2.85 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.27 4.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.89 0.00 0.00 62 P 0.00 3.92 0.00 2.17 1.83 0.00 3.59 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 63 G 9.74 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.35 4.48 0.00 2.76 2.75 0.00 0.00 7.11 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00